Monomers

4-(4-Methoxyphenyl)-1-butene

Identifiers

IUPAC name
1-but-3-enyl-4-methoxybenzene
InchI
InChI=1S/C11H14O/c1-3-4-5-10-6-8-11(12-2)9-7-10/h3,6-9H,1,4-5H2,2H3
InchI Key
CLTMQCGFHLPTBB-UHFFFAOYSA-N
SMILES
COc1ccc(cc1)CCC=C
Canonical SMILES
COC1=CC=C(C=C1)CCC=C
Isomeric SMILES
COC1=CC=C(C=C1)CCC=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H14O
Heavy Atom Count
12
Molecular Weight
162.232
Exact Molecular Weight
162.1045
Valence Electrons
64
Radical Electrons
0
tPSA
9.23
MolLogP
2.8138
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 26 26  0  0  0  0  0  0  0  0999 V2000
   -4.7223   -0.1411    0.4937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8082   -1.1052    0.0165 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4904   -0.7378   -0.1615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0888    0.5451    0.1239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7717    0.9611   -0.0399 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1633    0.0654   -0.5017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2135   -1.2237   -0.7943 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5269   -1.6145   -0.6240 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5561    0.5095   -0.6737 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3844    0.3004    0.5773 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7728    0.7715    0.3247 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8134   -0.0383    0.4188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2823    0.2523    1.4556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7240   -0.5687    0.6889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7357    0.6994   -0.2121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8067    1.2794    0.4920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5231    1.9996    0.2077 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5015   -1.9713   -1.1656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8079   -2.6421   -0.8614 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0146    0.0185   -1.5499 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5575    1.6110   -0.9059 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9643    0.8111    1.4492 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4216   -0.8039    0.7717 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8896    1.8245    0.0564 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6312   -1.0685    0.6881 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8310    0.2663    0.2436 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  3
  8  3  1  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  4 16  1  0
  5 17  1  0
  7 18  1  0
  8 19  1  0
  9 20  1  0
  9 21  1  0
 10 22  1  0
 10 23  1  0
 11 24  1  0
 12 25  1  0
 12 26  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers